Essays about: "conformal prediction"

Showing result 6 - 10 of 15 essays containing the words conformal prediction.

1. 6. Comparison of Support Vector Machines and Deep Learning For QSAR with Conformal Prediction

   University essay from Uppsala universitet/Institutionen för farmaceutisk biovetenskap

   Author : Maria Deligianni; [2022]
   Keywords : support vector machines; machine learning; qsar; conformal prediction; deep learning;

   Abstract : Quantitative Structure Activity Relationship (QSAR) is a very useful computa-tional method which has facilitated great progress in drug development [1]. Thismethod can be used to predict a molecule’s activity against a certain target justby comparing its structural characteristics (i.e. READ MORE

3. 7. Improving ligand-based modelling by combining various features

   University essay from Uppsala universitet/Institutionen för farmaceutisk biovetenskap

   Author : Abir Omran; [2021]
   Keywords : Machine learning; QSAR; Support Vector Machine; Morphological Profiles; Conformal Prediction;

   Abstract : Background: In drug discovery morphological profiles can be used to identify and establish a drug's biological activity or mechanism of action. Quantitative structure-activity relationship (QSAR) is an approach that uses the chemical structures to predict properties e.g., biological activity. READ MORE

4. 8. Training Machine Learning-based QSAR models with Conformal Prediction on Experimental Data from DNA-Encoded Chemical Libraries

   University essay from Uppsala universitet/Institutionen för farmaceutisk biovetenskap

   Author : Gökçe Geylan; [2021]
   Keywords : Machine Learning; DNA-Encoded Chemical Library; Support Vector Machine; Random Forest; Conformal Prediction; QSAR;

   Abstract : DNA-encoded chemical libraries (DEL) allows an exhaustive chemical space sampling with a large-scale data consisting of compounds produced through combinatorial synthesis. This novel technology was utilized in the early drug discovery stages for robust hit identification and lead optimization. READ MORE

5. 9. Conquering Chemical Space : Optimization of Docking Libraries through Interconnected Molecular Features

   University essay from Uppsala universitet/Institutionen för biologisk grundutbildning

   Author : Leonard Sparring; [2020]
   Keywords : ;

   Abstract : Copied selected text to selection primary: The development of new pharmaceuticals is a long and ardous process that typically requires more than 10 years from target identification to approved drug. This process often relies on high throughput screening of molecular libraries. READ MORE

6. 10. General image classifier for fluorescence microscopy using transfer learning

   University essay from Uppsala universitet/Avdelningen för visuell information och interaktion

   Author : Håkan Öhrn; [2019]
   Keywords : transfer learning; conformal prediction; image classification;

   Abstract : Modern microscopy and automation technologies enable experiments which can produce millions of images each day. The valuable information is often sparse, and requires clever methods to find useful data. READ MORE